Information card for entry 4034651

Structure parameters

• Formula: C26 H37 N O2 S
• Calculated formula: C26 H37 N O2 S
• SMILES: S(=O)(=O)(N(c1cc(C(C)(C)C)ccc1C(C)(C)C)CC=C)c1c(cc(cc1C)C)C
• Title of publication: Catalytic Enantioselective Synthesis of N-C Axially Chiral Sulfonamides through Chiral Palladium-Catalyzed N-Allylation.
• Authors of publication: Kikuchi, Yuki; Nakamura, Chisato; Matsuoka, Mizuki; Asami, Rina; Kitagawa, Osamu
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 12
• Pages of publication: 8112 - 8120
• a: 9.7016 ± 0.0003 Å
• b: 11.9655 ± 0.0003 Å
• c: 20.8347 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2418.59 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No